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3-(7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl)-N-(4-hydroxy-1,1-dioxidotetrahydrothiophen-3-yl)-3-[4-(methylsulfanyl)phenyl]propanamide

Catalog ID
STL551620
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC(=O)C(=C1O)C(c1ccc(cc1)SC)CC(=O)NC1CS(=O)(=O)CC1O)Cl

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C30H32ClNO10S2 MW 666.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32ClNO10S2/c1-14-9-19(33)24(28(36)30(14)29(37)25-21(40-2)11-22(41-3)26(31)27(25)42-30)17(15-5-7-16(43-4)8-6-15)10-23(35)32-18-12-44(38,39)13-20(18)34/h5-8,11,14,17-18,20,34,36H,9-10,12-13H2,1-4H3,(H,32,35)
InChIKey
PPUZGTYLFRNVJF-UHFFFAOYSA-N
Synonyms

135639990
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N((3R4S)4hydroxy11dioxidotetrahydrothiophen3yl)3(4(methylthio)phenyl)propanamide
3(7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(4hydroxy11dioxothiolan3yl)3(4methylsulfanylphenyl)propanamide
3(7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(4hydroxy11dioxidotetrahydrothiophen3yl)3(4(methylsulfanyl)phenyl)propanamide
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=C1O)C(c1ccc(cc1)SC)CC(=O)N(C@H)1CS(=O)(=O)C(C@H)1O)Cl
InChI=1SC30H32ClNO10S2c114919(33)24(28(36)30(14)29(37)2521(402)1122(413)26(31)27(25)4230)17(155716(434)8615)1023(35)32181244(3839)1320(18)34h5811141718203436H9101213H214H3(H3235)
MFCD31758233
ZINC001772492894
ZINC001772492897

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Available files

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